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3,5-Diiodo-L-thyronine - >96.0%(T), high purity , CAS No.1041-01-6
Basic Description
| Synonyms | (S)-2-amino-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid | 3,5-T2; NSC 90469; (2S)-2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid | L-T2 | MHM278SD3E | D1119 | Diiodothyronine | LIOTHYRONINE SODIUM IMPURITY E [EP IMPURITY] | 3, |
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| Specifications & Purity | ≥96%(T) |
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| Shipped In | Normal |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488186731 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186731 |
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| IUPAC Name | (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid |
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| INCHI | InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1 |
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| InChi Key | ZHSOTLOTTDYIIK-ZDUSSCGKSA-N |
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| Canonical SMILES | C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I |
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| Isomeric SMILES | C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I |
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| PubChem CID | 92859 |
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| Molecular Weight | 525.08 |
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| Reaxy-Rn | 2707891 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Sensitivity | Light Sensitive |
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| Specific Rotation[α] | 29° (C=1,1mol/L HCl:EtOH=1:2) |
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| Melt Point(°C) | 256 °C |
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| Molecular Weight | 525.080 g/mol |
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| XLogP3 | 1.100 |
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| Hydrogen Bond Donor Count | 3 |
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| Hydrogen Bond Acceptor Count | 5 |
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| Rotatable Bond Count | 5 |
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| Exact Mass | 524.893 Da |
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| Monoisotopic Mass | 524.893 Da |
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| Topological Polar Surface Area | 92.800 Ų |
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| Heavy Atom Count | 22 |
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| Formal Charge | 0 |
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| Complexity | 365.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 1 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
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| Signal | Warning |
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| Hazard Statements | H302:Harmful if swallowed |
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| Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. |
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| Reaxy-Rn | 2707891 |
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